Molecule FYI-1006721

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A

Molecule Summary:

ID: FYI-1006721
Names:
InChIKey: GPMHHSJZGVOEFS-UHFFFAOYSA-N
SMILES: Nc3nc2cc(C(=O)c1ccccc1)ccc2[nH]3

Received at FYIcenter.com on: 2024-01-12

Molecule ID: FYI-1006721 Edit

Molecule Structure InChIKey: GPMHHSJZGVOEFS-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc3nc2cc(C(=O)c1ccccc1)ccc2[nH]3

Download SDF Download SVG Structure in 2D SDF:

FYI-1006721
FYIcenter.com

 18 20  0  0  0  0  0  0  0  0999 V2000
   10.8290    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15  6  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17  4  1  0  0  0  0
 18 17  1  0  0  0  0
 18  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006721-3D
FYIcenter.com

 29 31  0     0  0  0  0  0  0999 V2000
   -1.6709   -2.2513   -0.8803 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1737    0.6482   -1.1621 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9132    0.1364    0.8705 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3917    1.2112   -0.7055 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1121    0.0600   -0.5237 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5988   -0.2504    0.7430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0259   -0.8416    0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8076   -0.2185   -0.9332 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7476   -0.8761    1.6694 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4337   -1.1654    1.2801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3982   -1.1568   -0.3664 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2254    0.6709   -0.2888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5245   -0.2002   -0.1489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2493    1.0219    0.4194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7920   -0.5794   -0.5258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3011    1.9154    0.6224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8437    0.3141   -0.3228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5981    1.5615    0.2514 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4624    0.0380   -1.9292 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0952   -1.1317    2.6653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2291   -1.6499    1.9941 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1783    1.0022   -2.1094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2551    1.3327    0.7207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0076   -1.5441   -0.9742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1105    2.8868    1.0695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8540    0.0390   -0.6117 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2036    1.2538   -0.0980 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5153    1.5986   -1.6359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4171    2.2572    0.4094 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  5  1  0  0  0  0
  2 12  1  0  0  0  0
  2 22  1  0  0  0  0
  3  6  1  0  0  0  0
  3 12  2  0  0  0  0
  4 12  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  2  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 23  1  0  0  0  0
 15 17  2  0  0  0  0
 15 24  1  0  0  0  0
 16 18  2  0  0  0  0
 16 25  1  0  0  0  0
 17 18  1  0  0  0  0
 17 26  1  0  0  0  0
 18 29  1  0  0  0  0
M  END
$$$$

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2024-01-24, 2376👍, 0💬